(2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)

C26H51NO9 — CID 144616170

About (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)

(2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol) (PubChem CID 144616170) has the molecular formula C26H51NO9 and a molecular weight of 521.69 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol).

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)
• PubChem CID: 144616170
• Molecular Formula: C26H51NO9
• Molecular Weight: 521.69 g/mol
• Exact Mass: 521.36
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)
• SMILES: CC(C)CC(COC(=O)ON1C(=O)CCC1=O)C(C)C.COC(C)(C)CCO.COC(C)(C)CCO
• InChI: InChI=1S/C14H23NO5.2C6H14O2/c1-9(2)7-11(10(3)4)8-19-14(18)20-15-12(16)5-6-13(15)17;2*1-6(2,8-3)4-5-7/h9-11H,5-8H2,1-4H3;2*7H,4-5H2,1-3H3
• InChIKey: XVPIOQBMXLFHSJ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 131.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.69
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol) (CID 144616170) is (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol).

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol) is CC(C)CC(COC(=O)ON1C(=O)CCC1=O)C(C)C.COC(C)(C)CCO.COC(C)(C)CCO.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)?

The InChIKey is XVPIOQBMXLFHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5.2C6H14O2/c1-9(2)7-11(10(3)4)8-19-14(18)20-15-12(16)5-6-13(15)17;2*1-6(2,8-3)4-5-7/h9-11H,5-8H2,1-4H3;2*7H,4-5H2,1-3H3.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol)?

(2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol) has a molecular weight of 521.69 g/mol, XLogP of 4.11, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) (4-methyl-2-propan-2-ylpentyl) carbonate;bis(3-methoxy-3-methylbutan-1-ol) is sourced from PubChem (CID 144616170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).